# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Groger-R-Vitek-V-Dlouhy-A--Co-Cr-Fe-Mn-Ni # implementation = 2020--Groger-R--Co-Cr-Fe-Mn-Ni--LAMMPS--ipr1 # composition = FeMnNi2 # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2024-11-27 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 2.942158062e+04 2.942158062e+04 1.12 2.366060955e+04 2.366060955e+04 1.14 1.909756617e+04 1.909756617e+04 1.16 1.546888735e+04 1.546888735e+04 1.18 1.257211846e+04 1.257211846e+04 1.20 1.025103988e+04 1.025103988e+04 1.22 8.384581424e+03 8.384581424e+03 1.24 6.878516504e+03 6.878516504e+03 1.26 5.659211172e+03 5.659211172e+03 1.28 4.668896142e+03 4.668896142e+03 1.30 3.862074179e+03 3.862074179e+03 1.32 3.202781503e+03 3.202781503e+03 1.34 2.662488597e+03 2.662488597e+03 1.36 2.218484024e+03 2.218484024e+03 1.38 1.852627631e+03 1.852627631e+03 1.40 1.550383655e+03 1.550383655e+03 1.42 1.300067236e+03 1.300067236e+03 1.44 1.092256301e+03 1.092256301e+03 1.46 9.193314023e+02 9.193314023e+02 1.48 7.751132808e+02 7.751132808e+02 1.50 6.545769619e+02 6.545769619e+02 1.52 5.536246115e+02 5.536246115e+02 1.54 4.689056953e+02 4.689056953e+02 1.56 3.976735972e+02 3.976735972e+02 1.58 3.376710622e+02 3.376710622e+02 1.60 2.870388931e+02 2.870388931e+02 1.62 2.442419353e+02 2.442419353e+02 1.64 2.080091963e+02 2.080091963e+02 1.66 1.772863412e+02 1.772863412e+02 1.68 1.511969671e+02 1.511969671e+02 1.70 1.290110740e+02 1.290110740e+02 1.72 1.101194800e+02 1.101194800e+02 1.74 9.401291662e+01 9.401291662e+01 1.76 8.026471130e+01 8.026471130e+01 1.78 6.851653025e+01 6.851653025e+01 1.80 5.846701545e+01 5.846701545e+01 1.82 4.986237933e+01 4.986237933e+01 1.84 4.248843054e+01 4.248843054e+01 1.86 3.616415909e+01 3.616415909e+01 1.88 3.073643399e+01 3.073643399e+01 1.90 2.607555143e+01 2.607555143e+01 1.92 2.207152908e+01 2.207152908e+01 1.94 1.863083405e+01 1.863083405e+01 1.96 1.567365311e+01 1.567365311e+01 1.98 1.313170030e+01 1.313170030e+01 2.00 1.094664112e+01 1.094664112e+01 2.02 9.068625626e+00 9.068625626e+00 2.04 7.455016129e+00 7.455016129e+00 2.06 6.069209335e+00 6.069209335e+00 2.08 4.879806876e+00 4.879806876e+00 2.10 3.859851854e+00 3.859851854e+00 2.12 2.986161749e+00 2.986161749e+00 2.14 2.238788237e+00 2.238788237e+00 2.16 1.600560607e+00 1.600560607e+00 2.18 1.056699186e+00 1.056699186e+00 2.20 5.944878123e-01 5.944878123e-01 2.22 2.029564010e-01 2.029564010e-01 2.24 -1.274908193e-01 -1.274908193e-01 2.26 -4.051822153e-01 -4.051822153e-01 2.28 -6.373184796e-01 -6.373184796e-01 2.30 -8.301275795e-01 -8.301275795e-01 2.32 -9.889910691e-01 -9.889910691e-01 2.34 -1.118552342e+00 -1.118552342e+00 2.36 -1.222862988e+00 -1.222862988e+00 2.38 -1.305508503e+00 -1.305508503e+00 2.40 -1.369610641e+00 -1.369610641e+00 2.42 -1.417879339e+00 -1.417879339e+00 2.44 -1.452663098e+00 -1.452663098e+00 2.46 -1.475992097e+00 -1.475992097e+00 2.48 -1.489615073e+00 -1.489615073e+00 2.50 -1.495030831e+00 -1.495030831e+00 2.52 -1.493515152e+00 -1.493515152e+00 2.54 -1.486143725e+00 -1.486143725e+00 2.56 -1.473811773e+00 -1.473811773e+00 2.58 -1.457282070e+00 -1.457282070e+00 2.60 -1.437245170e+00 -1.437245170e+00 2.62 -1.414278407e+00 -1.414278407e+00 2.64 -1.388866826e+00 -1.388866826e+00 2.66 -1.361475102e+00 -1.361475102e+00 2.68 -1.332524801e+00 -1.332524801e+00 2.70 -1.302379198e+00 -1.302379198e+00 2.72 -1.271336125e+00 -1.271336125e+00 2.74 -1.239638209e+00 -1.239638209e+00 2.76 -1.207493408e+00 -1.207493408e+00 2.78 -1.175079909e+00 -1.175079909e+00 2.80 -1.142549804e+00 -1.142549804e+00 2.82 -1.110032233e+00 -1.110032233e+00 2.84 -1.077636042e+00 -1.077636042e+00 2.86 -1.045452036e+00 -1.045452036e+00 2.88 -1.013559395e+00 -1.013559395e+00 2.90 -9.820372528e-01 -9.820372528e-01 2.92 -9.509571381e-01 -9.509571381e-01 2.94 -9.203820258e-01 -9.203820258e-01 2.96 -8.903673823e-01 -8.903673823e-01 2.98 -8.609620266e-01 -8.609620266e-01 3.00 -8.322088287e-01 -8.322088287e-01 3.02 -8.041452642e-01 -8.041452642e-01 3.04 -7.768038456e-01 -7.768038456e-01 3.06 -7.502124415e-01 -7.502124415e-01 3.08 -7.243945012e-01 -7.243945012e-01 3.10 -6.993691931e-01 -6.993691931e-01 3.12 -6.751514700e-01 -6.751514700e-01 3.14 -6.517520683e-01 -6.517520683e-01 3.16 -6.291773979e-01 -6.291773979e-01 3.18 -6.074260648e-01 -6.074260648e-01 3.20 -5.864872493e-01 -5.864872493e-01 3.22 -5.663461997e-01 -5.663461997e-01 3.24 -5.469844961e-01 -5.469844961e-01 3.26 -5.283797300e-01 -5.283797300e-01 3.28 -5.105051568e-01 -5.105051568e-01 3.30 -4.933293240e-01 -4.933293240e-01 3.32 -4.768185649e-01 -4.768185649e-01 3.34 -4.609460850e-01 -4.609460850e-01 3.36 -4.456844095e-01 -4.456844095e-01 3.38 -4.310023938e-01 -4.310023938e-01 3.40 -4.168649040e-01 -4.168649040e-01 3.42 -4.032324858e-01 -4.032324858e-01 3.44 -3.900610240e-01 -3.900610240e-01 3.46 -3.773035840e-01 -3.773035840e-01 3.48 -3.649348622e-01 -3.649348622e-01 3.50 -3.529458210e-01 -3.529458210e-01 3.52 -3.413283052e-01 -3.413283052e-01 3.54 -3.300747161e-01 -3.300747161e-01 3.56 -3.191779572e-01 -3.191779572e-01 3.58 -3.086313771e-01 -3.086313771e-01 3.60 -2.984287083e-01 -2.984287083e-01 3.62 -2.885640040e-01 -2.885640040e-01 3.64 -2.790315713e-01 -2.790315713e-01 3.66 -2.698259031e-01 -2.698259031e-01 3.68 -2.609416079e-01 -2.609416079e-01 3.70 -2.523733380e-01 -2.523733380e-01 3.72 -2.441157159e-01 -2.441157159e-01 3.74 -2.361632601e-01 -2.361632601e-01 3.76 -2.285103097e-01 -2.285103097e-01 3.78 -2.211509485e-01 -2.211509485e-01 3.80 -2.140789272e-01 -2.140789272e-01 3.82 -2.072875867e-01 -2.072875867e-01 3.84 -2.007697796e-01 -2.007697796e-01 3.86 -1.945177921e-01 -1.945177921e-01 3.88 -1.885232652e-01 -1.885232652e-01 3.90 -1.827771158e-01 -1.827771158e-01 3.92 -1.772694573e-01 -1.772694573e-01 3.94 -1.719895211e-01 -1.719895211e-01 3.96 -1.669255765e-01 -1.669255765e-01 3.98 -1.620648519e-01 -1.620648519e-01 4.00 -1.573934552e-01 -1.573934552e-01 4.02 -1.528962949e-01 -1.528962949e-01 4.04 -1.485570003e-01 -1.485570003e-01 4.06 -1.443596409e-01 -1.443596409e-01 4.08 -1.402965708e-01 -1.402965708e-01 4.10 -1.363631036e-01 -1.363631036e-01 4.12 -1.325547238e-01 -1.325547238e-01 4.14 -1.288670800e-01 -1.288670800e-01 4.16 -1.252959789e-01 -1.252959789e-01 4.18 -1.218373801e-01 -1.218373801e-01 4.20 -1.184873902e-01 -1.184873902e-01 4.22 -1.152422582e-01 -1.152422582e-01 4.24 -1.120983698e-01 -1.120983698e-01 4.26 -1.090522429e-01 -1.090522429e-01 4.28 -1.061005224e-01 -1.061005224e-01 4.30 -1.032399758e-01 -1.032399758e-01 4.32 -1.004674887e-01 -1.004674887e-01 4.34 -9.778006031e-02 -9.778006031e-02 4.36 -9.517479926e-02 -9.517479926e-02 4.38 -9.264891959e-02 -9.264891959e-02 4.40 -9.019973679e-02 -9.019973679e-02 4.42 -8.782466397e-02 -8.782466397e-02 4.44 -8.552120824e-02 -8.552120824e-02 4.46 -8.328696717e-02 -8.328696717e-02 4.48 -8.111933748e-02 -8.111933748e-02 4.50 -7.901470127e-02 -7.901470127e-02 4.52 -7.696938952e-02 -7.696938952e-02 4.54 -7.497997907e-02 -7.497997907e-02 4.56 -7.304328403e-02 -7.304328403e-02 4.58 -7.115634736e-02 -7.115634736e-02 4.60 -6.931643247e-02 -6.931643247e-02 4.62 -6.752101488e-02 -6.752101488e-02 4.64 -6.576777395e-02 -6.576777395e-02 4.66 -6.405458473e-02 -6.405458473e-02 4.68 -6.237950979e-02 -6.237950979e-02 4.70 -6.074079115e-02 -6.074079115e-02 4.72 -5.913684230e-02 -5.913684230e-02 4.74 -5.756624024e-02 -5.756624024e-02 4.76 -5.602771755e-02 -5.602771755e-02 4.78 -5.452015458e-02 -5.452015458e-02 4.80 -5.304257167e-02 -5.304257167e-02 4.82 -5.159412135e-02 -5.159412135e-02 4.84 -5.017408072e-02 -5.017408072e-02 4.86 -4.878184375e-02 -4.878184375e-02 4.88 -4.741691372e-02 -4.741691372e-02 4.90 -4.607889561e-02 -4.607889561e-02 4.92 -4.476748863e-02 -4.476748863e-02 4.94 -4.348247873e-02 -4.348247873e-02 4.96 -4.222373116e-02 -4.222373116e-02 4.98 -4.099118306e-02 -4.099118306e-02 5.00 -3.978483611e-02 -3.978483611e-02 5.02 -3.860474919e-02 -3.860474919e-02 5.04 -3.745103111e-02 -3.745103111e-02 5.06 -3.632383329e-02 -3.632383329e-02 5.08 -3.522334259e-02 -3.522334259e-02 5.10 -3.414977406e-02 -3.414977406e-02 5.12 -3.310336378e-02 -3.310336378e-02 5.14 -3.208436172e-02 -3.208436172e-02 5.16 -3.109299279e-02 -3.109299279e-02 5.18 -3.012876865e-02 -3.012876865e-02 5.20 -2.919055954e-02 -2.919055954e-02 5.22 -2.827731805e-02 -2.827731805e-02 5.24 -2.738810096e-02 -2.738810096e-02 5.26 -2.652205863e-02 -2.652205863e-02 5.28 -2.567842429e-02 -2.567842429e-02 5.30 -2.485650340e-02 -2.485650340e-02 5.32 -2.405566303e-02 -2.405566303e-02 5.34 -2.327532116e-02 -2.327532116e-02 5.36 -2.251493603e-02 -2.251493603e-02 5.38 -2.177399554e-02 -2.177399554e-02 5.40 -2.105200649e-02 -2.105200649e-02 5.42 -2.034848404e-02 -2.034848404e-02 5.44 -1.966294097e-02 -1.966294097e-02 5.46 -1.899487705e-02 -1.899487705e-02 5.48 -1.834376842e-02 -1.834376842e-02 5.50 -1.770905686e-02 -1.770905686e-02 5.52 -1.709013921e-02 -1.709013921e-02 5.54 -1.648635668e-02 -1.648635668e-02 5.56 -1.589698417e-02 -1.589698417e-02 5.58 -1.532121967e-02 -1.532121967e-02 5.60 -1.475817356e-02 -1.475817356e-02 5.62 -1.420685798e-02 -1.420685798e-02 5.64 -1.366617616e-02 -1.366617616e-02 5.66 -1.313491175e-02 -1.313491175e-02 5.68 -1.261171822e-02 -1.261171822e-02 5.70 -1.209510814e-02 -1.209510814e-02 5.72 -1.158344639e-02 -1.158344639e-02 5.74 -1.107565321e-02 -1.107565321e-02 5.76 -1.057211827e-02 -1.057211827e-02 5.78 -1.007345261e-02 -1.007345261e-02 5.80 -9.580290821e-03 -9.580290821e-03 5.82 -9.093286857e-03 -9.093286857e-03 5.84 -8.613109857e-03 -8.613109857e-03 5.86 -8.140439926e-03 -8.140439926e-03 5.88 -7.675963944e-03 -7.675963944e-03 5.90 -7.220371359e-03 -7.220371359e-03 5.92 -6.774349995e-03 -6.774349995e-03 5.94 -6.338581845e-03 -6.338581845e-03 5.96 -5.913738876e-03 -5.913738876e-03 5.98 -5.500478829e-03 -5.500478829e-03 6.00 -5.099441018e-03 -5.099441018e-03